[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine

C12H22F3N3 — CID 62969099

IUPAC[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
SMILESNCC1CCCC1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3/c13-12(14,15)9-17-4-6-18(7-5-17)11-3-1-2-10(11)8-16/h10-11H,1-9,16H2
InChIKeyGCAGSMGLQINZDF-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.29
Rot. Bonds3

About [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine

[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine (PubChem CID 62969099) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
PubChem CID62969099
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC Name[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
SMILESNCC1CCCC1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3/c13-12(14,15)9-17-4-6-18(7-5-17)11-3-1-2-10(11)8-16/h10-11H,1-9,16H2
InChIKeyGCAGSMGLQINZDF-UHFFFAOYSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The IUPAC name of [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine (CID 62969099) is [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The canonical SMILES for [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine is NCC1CCCC1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The InChIKey is GCAGSMGLQINZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c13-12(14,15)9-17-4-6-18(7-5-17)11-3-1-2-10(11)8-16/h10-11H,1-9,16H2.
What are the key properties of [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine has a molecular weight of 265.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine is sourced from PubChem (CID 62969099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).